Soft-core square well model
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The soft-core square well model is given by
\[ \Phi_{12}\left( r \right) = \left\{ \begin{array}{lcc} 4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{n}- \left( \frac{\sigma}{r}\right)^{n/2} \right] & ; & r \leq r_m \\ - \epsilon & ; &r_m < r \leq \lambda \sigma \\ 0 & ; & r >\lambda \sigma \end{array} \right. \]
where \(\Phi_{12}(r)\) is the intermolecular pair potential, \(r_m = 2^{2/n}\sigma\), \(\epsilon\) is the well depth, \(r\) is the distance between site 1 and site 2, i.e. \(r := |\mathbf{r}_1 - \mathbf{r}_2|\), σ is the hard diameter and λ > 1.
